(6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate

C13H13ClN2O3 — CID 53364513

IUPAC(6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate
SMILESO=C(Oc1noc2cc(Cl)ccc12)N1CCCCC1
InChIInChI=1S/C13H13ClN2O3/c14-9-4-5-10-11(8-9)19-15-12(10)18-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2
InChIKeyOJIWUHZMNDGOGL-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.47
Rot. Bonds1

About (6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate

(6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate (PubChem CID 53364513) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is (6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate
PubChem CID53364513
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name(6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate
SMILESO=C(Oc1noc2cc(Cl)ccc12)N1CCCCC1
InChIInChI=1S/C13H13ClN2O3/c14-9-4-5-10-11(8-9)19-15-12(10)18-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2
InChIKeyOJIWUHZMNDGOGL-UHFFFAOYSA-N
XLogP3.47
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate?
The IUPAC name of (6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate (CID 53364513) is (6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate.
What is the SMILES notation for (6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate?
The canonical SMILES for (6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate is O=C(Oc1noc2cc(Cl)ccc12)N1CCCCC1.
What is the InChIKey of (6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate?
The InChIKey is OJIWUHZMNDGOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c14-9-4-5-10-11(8-9)19-15-12(10)18-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2.
What are the key properties of (6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate?
(6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate has a molecular weight of 280.71 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate is sourced from PubChem (CID 53364513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).